REMARK Name = BDB038929 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.903 -2.519 0.755 0.00 0.00 +0.403 C ATOM 2 N LIG 1 5.185 -1.446 0.258 0.00 0.00 -0.263 N ATOM 3 C LIG 1 3.725 -1.433 0.306 0.00 0.00 +0.148 C ATOM 4 C LIG 1 3.091 -0.119 -0.074 0.00 0.00 +0.001 A ATOM 5 C LIG 1 3.864 0.994 -0.477 0.00 0.00 -0.039 A ATOM 6 C LIG 1 3.249 2.210 -0.806 0.00 0.00 +0.006 A ATOM 7 C LIG 1 1.859 2.358 -0.773 0.00 0.00 +0.028 A ATOM 8 C LIG 1 1.101 1.245 -0.390 0.00 0.00 +0.069 A ATOM 9 N LIG 1 -0.261 1.024 -0.244 0.00 0.00 -0.324 N ATOM 10 C LIG 1 -0.431 -0.290 0.155 0.00 0.00 +0.114 A ATOM 11 N LIG 1 0.737 -0.889 0.283 0.00 0.00 -0.232 NA ATOM 12 C LIG 1 5.369 0.887 -0.498 0.00 0.00 +0.054 C ATOM 13 C LIG 1 1.690 0.034 -0.049 0.00 0.00 +0.094 A ATOM 14 C LIG 1 5.824 -0.555 -0.698 0.00 0.00 +0.116 C ATOM 15 O LIG 1 7.105 -2.682 0.579 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 -1.738 -0.982 0.429 0.00 0.00 +0.056 C ATOM 17 C LIG 1 -1.865 -1.307 1.927 0.00 0.00 +0.026 C ATOM 18 C LIG 1 -3.165 -2.058 2.233 0.00 0.00 +0.098 C ATOM 19 C LIG 1 -3.283 -3.323 1.374 0.00 0.00 +0.015 C ATOM 20 C LIG 1 -3.154 -3.009 -0.114 0.00 0.00 +0.001 C ATOM 21 C LIG 1 -1.860 -2.260 -0.417 0.00 0.00 +0.011 C BRANCH 18 22 ATOM 22 C LIG 1 -3.240 -2.399 3.705 0.00 0.00 +0.308 C ATOM 23 O LIG 1 -3.254 -3.509 4.208 0.00 0.00 -0.251 OA BRANCH 22 24 ATOM 24 O LIG 1 -3.328 -1.300 4.481 0.00 0.00 -0.480 OA ATOM 25 H LIG 1 -3.366 -1.660 5.392 0.00 0.00 +0.295 HD ENDBRANCH 22 24 ENDBRANCH 18 22 ENDBRANCH 10 16 BRANCH 1 27 ATOM 26 C LIG 1 5.829 -4.501 2.003 0.00 0.00 +0.282 C ATOM 27 O LIG 1 5.125 -3.381 1.466 0.00 0.00 -0.454 OA ENDBRANCH 1 27 BRANCH 9 28 ATOM 28 C LIG 1 -1.284 2.043 -0.502 0.00 0.00 +0.090 C ATOM 29 C LIG 1 -2.117 2.368 0.743 0.00 0.00 +0.031 C BRANCH 28 30 ATOM 30 C LIG 1 -2.115 1.710 -1.757 0.00 0.00 +0.060 C BRANCH 30 31 ATOM 31 C LIG 1 -2.894 2.892 -2.285 0.00 0.00 -0.045 A ATOM 32 C LIG 1 -2.255 3.873 -3.056 0.00 0.00 +0.004 A ATOM 33 C LIG 1 -2.968 4.975 -3.531 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -4.324 5.107 -3.239 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -4.969 4.137 -2.473 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -4.258 3.034 -1.998 0.00 0.00 +0.004 A ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 9 28 TORSDOF 7